GCC performance with CP2K

[FX]

Below is a mail from Joost VandeVondele (from the cp2k team) to the
gcc mailing-list. I post it here also to spread the good news...


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I've just tested gcc/gfortran with CP2K, which some of you might know
from PR29975 and other messages to the list, and observed some very
pleasing evolution in the runtime of the code. In each case the set of
compilation options is '-O2 -ffast-math -funroll-loops
-ftree-vectorize -march=native' (-march=k8-sse3), the intel reference
'-O2 -xW -heap-arrays 64'

version subroutine time[s]

out.intel: CP2K 504.52

out.gfortran.4.2.3: CP2K 601.35
out.gfortran.4.3.0: CP2K 569.42
out.gfortran.4.4.0: CP2K 508.12


I hope that this rate of improvement sets a standard up to gcc 4.95.3 ;-)

Thanks for your efforts...

Cheers,

Joost